CID 9630505

3-(2-((decanoylamino)acetyl)carbohydrazonoyl)phenyl 4-chlorobenzoate

Structural Information

Molecular Formula
C26H32ClN3O4
SMILES
CCCCCCCCCC(=O)NCC(=O)N/N=C/C1=CC(=CC=C1)OC(=O)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C26H32ClN3O4/c1-2-3-4-5-6-7-8-12-24(31)28-19-25(32)30-29-18-20-10-9-11-23(17-20)34-26(33)21-13-15-22(27)16-14-21/h9-11,13-18H,2-8,12,19H2,1H3,(H,28,31)(H,30,32)/b29-18+
InChIKey
BHQRQJMNNHQHRM-RDRPBHBLSA-N
Compound name
[3-[(E)-[[2-(decanoylamino)acetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

485.20813 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 486.21541 221.4
[M+Na]+ 508.19735 223.1
[M-H]- 484.20085 227.5
[M+NH4]+ 503.24195 228.9
[M+K]+ 524.17129 217.7
[M+H-H2O]+ 468.20539 211.3
[M+HCOO]- 530.20633 240.3
[M+CH3COO]- 544.22198 246.1
[M+Na-2H]- 506.18280 219.6
[M]+ 485.20758 228.2
[M]- 485.20868 228.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.